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UQI

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAXCAWdoub1.31Å1.40Å
CAWCAVsing1.51Å1.55Å
CLBECBDsing1.73Å1.75Å
CAGCAFsing1.51Å1.57Å
CAGCAHsing1.52Å1.52Å
CAVCAFsing1.52Å1.55Å
CAVCAUsing1.52Å1.52Å
CAFNsing1.46Å1.45Å
CBDCBFdoub1.38Å1.40ÅAromatic
CBDCBCsing1.38Å1.37ÅAromatic
CBFCAYsing1.38Å1.40ÅAromatic
CAHCBsing1.51Å1.57Å
NABSACdoub1.49Å1.46Å
CAUNAMsing1.46Å1.47Å
NSACsing1.66Å1.61Å
NCAsing1.46Å1.47Å
CBCCBAdoub1.38Å1.40ÅAromatic
CAYSACsing1.76Å1.73Å
CAYCAZdoub1.38Å1.37ÅAromatic
SACOADdoub1.42Å1.47Å
NAMCANsing1.48Å1.53Å
NAMCsing1.34Å1.35Å
CBCAsing1.52Å1.52Å
CATCASdoub1.39Å1.39ÅAromatic
CATCAOsing1.38Å1.40ÅAromatic
CACsing1.51Å1.44Å
CASCARsing1.39Å1.40ÅAromatic
CANCAOsing1.51Å1.45Å
COdoub1.22Å1.25Å
CBACAZsing1.38Å1.41ÅAromatic
CBACLBBsing1.74Å1.74Å
CAONAPdoub1.32Å1.34ÅAromatic
CARCAQdoub1.38Å1.40ÅAromatic
NAPCAQsing1.32Å1.39ÅAromatic
CAZHAZsing1.08Å1.08Å
CBCHBCsing1.08Å1.08Å
CBFHBFsing1.08Å1.08Å
NABH1sing0.97Å1.00Å
CAHAsing1.10Å1.10Å
CBHB2sing1.09Å1.10Å
CBHB1sing1.11Å1.10Å
CAHHAJsing1.10Å1.10Å
CAHHAIsing1.10Å1.10Å
CAGHAHsing1.10Å1.10Å
CAGHAGsing1.10Å1.10Å
CAFHAFsing1.11Å1.10Å
CAVHAVsing1.10Å1.10Å
CAWHAWsing1.08Å1.08Å
CAXHB5sing1.08Å1.08Å
CAXHAXsing1.08Å1.08Å
CAUHB4sing1.09Å1.10Å
CAUHAUsing1.10Å1.10Å
CANHANsing1.09Å1.10Å
CANHB3sing1.09Å1.10Å
CAQHAQsing1.08Å1.08Å
CARHARsing1.08Å1.08Å
CASHASsing1.08Å1.08Å
CATHATsing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAXCAWCAV125.3°120.0°
CAXCAWHAW117.3°120.0°
CAWCAXHB5120.0°120.0°
CAWCAXHAX120.0°120.0°
CAWCAVCAF106.6°109.8°
CAWCAVCAU111.4°110.3°
CAWCAVHAV107.9°107.6°
CAVCAWHAW117.4°120.0°
CLBECBDCBF119.8°120.0°
CLBECBDCBC117.6°120.0°
CAFCAGCAH108.6°113.6°
CAGCAFCAV109.6°114.1°
CAGCAFN116.6°110.2°
CAFCAGHAH109.7°108.9°
CAFCAGHAG109.7°108.9°
CAGCAFHAF107.4°106.2°
CAGCAHCB113.2°117.3°
CAGCAHHAJ108.5°108.0°
CAGCAHHAI108.5°108.0°
CAHCAGHAH109.7°108.9°
CAHCAGHAG109.7°108.9°
CAFCAVCAU114.4°112.5°
CAVCAFN106.3°113.3°
CAVCAFHAF107.7°106.4°
CAFCAVHAV108.0°108.2°
CAVCAUNAM109.4°112.4°
CAUCAVHAV108.3°108.2°
CAVCAUHB4109.5°110.0°
CAVCAUHAU109.5°108.2°
CAFNSAC117.2°120.3°
CAFNCA113.3°119.2°
NCAFHAF108.9°105.9°
CBFCBDCBC122.5°119.9°
CBDCBFCAY120.1°120.0°
CBDCBFHBF120.0°120.0°
CBDCBCCBA115.9°120.0°
CBDCBCHBC122.1°120.0°
CBFCAYSAC119.7°120.0°
CBFCAYCAZ119.0°120.0°
CAYCBFHBF119.9°120.0°
CAHCBCA107.7°115.2°
CAHCBHB2109.9°110.8°
CAHCBHB1109.9°107.7°
CBCAHHAJ108.5°108.5°
CBCAHHAI108.5°108.6°
NABSACN116.6°109.5°
NABSACCAY104.7°109.5°
NABSACOAD116.6°109.5°
SACNABH1112.0°120.1°
CAUNAMCAN114.5°118.4°
CAUNAMC124.9°124.1°
NAMCAUHB4109.5°111.4°
NAMCAUHAU109.5°108.0°
SACNCA122.9°120.5°
NSACCAY103.1°109.4°
NSACOAD110.1°109.5°
NCACB115.6°111.2°
NCAC113.1°108.2°
NCAHA105.0°109.9°
CBCCBACAZ123.1°120.0°
CBCCBACLBB117.3°120.0°
CBACBCHBC122.1°120.0°
SACCAYCAZ120.9°120.0°
CAYSACOAD103.8°109.5°
CAYCAZCBA119.4°120.0°
CAYCAZHAZ120.3°120.0°
CANNAMC120.4°117.5°
NAMCANCAO109.6°109.4°
NAMCANHAN109.4°109.5°
NAMCANHB3109.5°109.5°
NAMCCA125.8°121.1°
NAMCO115.3°119.5°
CBCAC112.1°107.9°
CBCAHA104.4°110.2°
CACBHB2109.9°110.2°
CACBHB1109.9°107.3°
CASCATCAO118.9°119.1°
CATCASCAR119.1°118.4°
CATCASHAS120.5°120.8°
CASCATHAT120.5°120.4°
CATCAOCAN120.7°119.6°
CATCAONAP120.6°120.8°
CAOCATHAT120.5°120.4°
CACO118.7°119.3°
CCAHA105.3°109.4°
CASCARCAQ121.2°119.2°
CASCARHAR119.4°120.5°
CARCASHAS120.5°120.8°
CANCAONAP118.6°119.6°
CAOCANHAN109.5°109.5°
CAOCANHB3109.4°109.4°
CAZCBACLBB119.6°120.0°
CBACAZHAZ120.3°120.0°
CAONAPCAQ122.8°121.7°
CARCAQNAP117.2°120.8°
CARCAQHAQ121.4°119.6°
CAQCARHAR119.4°120.4°
NAPCAQHAQ121.4°119.6°
HB2CBHB1109.4°105.1°
HAJCAHHAI109.5°105.8°
HAHCAGHAG109.5°107.5°
HB5CAXHAX120.0°120.0°
HB4CAUHAU109.5°106.6°
HANCANHB3109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAXCAWCAVHAW180.0°180.0°
CAXCAWCAVCAF98.8°120.0°
CAXCAWCAVCAU26.6°115.4°
CAXCAWCAVHAV145.4°2.5°
CAWCAXHB5HAX180.0°180.0°
CAWCAVCAFCAG93.2°171.1°
CAWCAVCAFCAU123.6°123.3°
CAWCAVCAFHAV115.8°117.2°
CAWCAVCAUHAV118.5°117.5°
CAWCAVCAFN140.0°61.7°
CAWCAVCAUNAM158.4°44.6°
CAWCAVCAFHAF23.4°54.3°
CAVCAWCAXHB5180.0°0.0°
CAVCAWCAXHAX0.0°180.0°
CAWCAVCAUHB438.4°169.4°
CAWCAVCAUHAU81.6°74.6°
CLBECBDCBFCBC177.0°179.8°
CLBECBDCBFCAY179.6°180.0°
CLBECBDCBCCBA178.6°179.7°
CLBECBDCBCHBC1.5°0.2°
CLBECBDCBFHBF0.4°0.2°
CAFCAGCAHHAH119.9°121.5°
CAFCAGCAHHAG119.9°121.5°
CAGCAFCAVN126.8°127.2°
CAGCAFCAVHAF116.6°116.8°
CAGCAFCAVCAU143.2°65.6°
CAGCAFNHAF121.7°114.5°
CAFCAGCAHCB52.4°17.9°
CAGCAFNSAC105.5°118.6°
CAGCAFNCA46.9°61.2°
CAFCAGCAHHAJ173.0°140.8°
CAFCAGCAHHAI68.1°105.1°
CAFCAGHAHHAG120.4°117.8°
CAGCAFCAVHAV22.5°53.9°
CAHCAGCAFCAV72.8°98.4°
CAHCAGCAFN47.9°30.4°
CAGCAHCBHAJ120.6°122.7°
CAGCAHCBHAI120.5°122.7°
CAGCAHCBCA56.1°43.5°
CAGCAHCBHB263.6°82.4°
CAGCAHCBHB1175.9°163.1°
CAGCAHHAJHAI118.3°115.4°
CAHCAGHAHHAG120.4°117.8°
CAHCAGCAFHAF170.4°144.8°
CAFCAVCAUHAV120.5°119.5°
CAVCAFNHAF115.8°116.3°
CAFCAVCAUNAM80.6°78.4°
CAVCAFNSAC132.0°112.2°
CAVCAFNCA75.5°67.9°
CAVCAFCAGHAH167.4°23.2°
CAVCAFCAGHAG47.1°140.1°
CAFCAVCAWHAW81.2°60.0°
CAFCAVCAUHB4159.4°46.4°
CAFCAVCAUHAU39.4°162.4°
CAUCAVCAFN16.4°61.6°
CAVCAUNAMHB4120.0°124.0°
CAVCAUNAMHAU120.0°119.3°
CAVCAUNAMCAN127.2°116.4°
CAVCAUNAMC47.9°64.7°
CAUCAVCAFHAF100.2°177.6°
CAUCAVCAWHAW153.3°64.6°
CAVCAUHB4HAU120.1°117.0°
CAFNSACNAB22.4°115.7°
CAFNSACCA149.6°179.9°
CAFNSACCAY91.6°124.3°
CAFNSACOAD158.2°4.3°
CAFNCACB50.9°35.5°
CAFNCAC80.3°82.8°
CAFNCAHA165.5°157.7°
NCAFCAGHAH71.9°152.0°
NCAFCAGHAG167.8°91.1°
NCAFCAVHAV104.3°178.9°
CBDCBFCAYHBF180.0°179.7°
CBFCBDCBCCBA1.5°0.0°
CBDCBFCAYSAC175.7°180.0°
CBDCBFCAYCAZ3.0°0.5°
CBFCBDCBCHBC178.5°180.0°
CBCCBDCBFCAY3.4°0.2°
CBDCBCCBAHBC180.0°180.0°
CBDCBCCBACAZ0.6°0.0°
CBDCBCCBACLBB179.0°180.0°
CBCCBDCBFHBF176.6°180.0°
CBFCAYSACNAB44.5°24.4°
CBFCAYSACN77.9°144.4°
CBFCAYSACCAZ172.6°179.5°
CBFCAYSACOAD167.2°95.6°
CBFCAYCAZCBA1.0°0.5°
CBFCAYCAZHAZ179.0°179.8°
CAHCBCAN54.2°17.1°
CAHCBCAHB2119.7°126.3°
CAHCBCAHB1119.8°119.9°
CAHCBCAC77.5°135.5°
CAHCBCAHA169.0°105.1°
CAHCBHB2HB1120.8°116.1°
CBCAHHAJHAI118.3°116.4°
CBCAHCAGHAH67.5°103.7°
CBCAHCAGHAG172.3°139.4°
NABSACNCAY114.0°120.0°
NABSACNOAD135.8°120.0°
NABSACNCA127.2°64.4°
NABSACCAYOAD122.8°120.0°
NABSACCAYCAZ143.0°156.1°
CAUNAMCANC175.3°178.9°
CAUNAMCCA10.7°1.6°
CAUNAMCANCAO56.0°90.0°
CAUNAMCO173.3°178.3°
NAMCAUCAVHAV39.9°162.1°
NAMCAUHB4HAU120.0°117.6°
CAUNAMCANHAN176.0°150.0°
CAUNAMCANHB364.0°30.0°
NSACCAYOAD114.9°120.0°
NSACCAYCAZ94.6°36.1°
SACNCACB99.7°144.4°
SACNCAC129.1°97.3°
NSACNABH1132.9°60.0°
SACNCAHA14.8°22.1°
SACNCAFHAF16.3°4.1°
CANSACCAY118.8°55.6°
CANSACOAD8.6°175.6°
NCACNAM3.7°64.1°
NCACBC131.7°118.5°
NCACBHA114.8°122.2°
NCACHA114.1°119.8°
NCACO172.2°115.8°
NCACBHB265.6°109.2°
NCACBHB1173.9°136.9°
CANCAFHAF168.7°175.8°
CBCCBACAZCAY0.8°0.2°
CBCCBACAZCLBB178.3°179.9°
CBCCBACAZHAZ179.2°180.0°
SACCAYCAZCBA173.6°180.0°
SACCAYCAZHAZ6.4°0.3°
SACCAYCBFHBF4.3°0.3°
CAYSACNABH1114.0°180.0°
CAZCAYSACOAD20.2°83.8°
CAYCAZCBAHAZ180.0°179.7°
CAYCAZCBACLBB179.2°179.7°
CAZCAYCBFHBF177.0°179.7°
OADSACNABH10.0°60.0°
NAMCANCAOCAT123.5°94.7°
CANNAMCCA174.6°177.3°
NAMCANCAOHAN120.0°120.1°
NAMCANCAOHB3120.0°120.0°
CANNAMCO1.5°2.8°
NAMCANCAONAP59.1°84.9°
CANNAMCAUHB47.2°119.5°
CANNAMCAUHAU112.8°2.8°
NAMCANHANHB3120.0°120.0°
NAMCCACB129.2°56.3°
NAMCCAO176.0°179.9°
CNAMCANCAO128.7°91.1°
NAMCCAHA117.8°176.1°
CNAMCAUHB4167.8°59.3°
CNAMCAUHAU72.1°176.0°
CNAMCANHAN8.7°29.0°
CNAMCANHB3111.3°149.0°
CBCACHA113.0°119.8°
CBCACO54.9°123.8°
CACBHB2HB1120.8°115.2°
CACBCAHHAJ176.7°166.2°
CACBCAHHAI64.4°79.2°
CASCATCAOHAT180.0°179.4°
CATCASCARHAS180.0°179.8°
CASCATCAOCAN176.9°179.7°
CASCATCAONAP0.5°0.6°
CATCASCARCAQ2.7°0.2°
CATCASCARHAR177.3°179.7°
CAOCATCASCAR3.5°0.5°
CATCAOCANNAP177.4°179.7°
CATCAONAPCAQ3.6°0.4°
CATCAOCANHAN116.5°25.3°
CATCAOCANHB33.5°145.3°
CAOCATCASHAS176.5°179.7°
CCACBHB2162.7°9.2°
CCACBHB142.2°104.6°
CASCARCAQHAR180.0°180.0°
CASCARCAQNAP1.1°0.0°
CASCARCAQHAQ178.9°179.9°
CARCASCATHAT176.5°180.0°
CANCAONAPCAQ178.9°180.0°
CAOCANHANHB3119.9°120.0°
CANCAOCATHAT3.1°0.3°
OCCAHA58.1°3.9°
CAZCBACBCHBC179.4°180.0°
CLBBCBACAZHAZ0.9°0.0°
CLBBCBACBCHBC1.0°0.1°
CAONAPCAQCAR4.4°0.1°
NAPCAOCANHAN60.9°155.0°
NAPCAOCANHB3179.1°35.0°
CAONAPCAQHAQ175.6°180.0°
NAPCAOCATHAT179.5°180.0°
CARCAQNAPHAQ180.0°179.9°
CAQCARCASHAS177.3°180.0°
NAPCAQCARHAR178.9°180.0°
HACACBHB249.2°128.6°
HACACBHB171.3°14.8°
HB2CBCAHHAJ57.0°40.3°
HB2CBCAHHAI175.8°154.9°
HB1CBCAHHAJ63.6°74.1°
HB1CBCAHHAI55.3°40.5°
HAJCAHCAGHAH53.1°19.3°
HAJCAHCAGHAG67.2°97.7°
HAICAHCAGHAH172.0°133.3°
HAICAHCAGHAG51.7°16.4°
HAHCAGCAFHAF50.6°93.7°
HAGCAGCAFHAF69.7°23.3°
HAFCAFCAVHAV139.1°62.9°
HAVCAVCAWHAW34.6°177.5°
HAVCAVCAUHB480.1°73.1°
HAVCAVCAUHAU159.8°42.9°
HAWCAWCAXHB50.0°180.0°
HAWCAWCAXHAX180.0°0.0°
HAQCAQCARHAR1.1°0.0°
HARCARCASHAS2.7°0.1°
HASCASCATHAT3.5°0.2°

224931

PDB entries from 2024-09-11

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